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[2.2]Paracyclophan-1-carbadehyd

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

[2.2]Paracyclophan-1-carbadehyd
SpectraBase Compound ID RFfSN1Zh90
InChI InChI=1S/C17H16O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-10,12,17H,1-2,11H2
InChIKey KRUCVIIAIHBOCH-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 743TUMMR3eH
Name [2.2]Paracyclophan-1-carbadehyd
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.120115134 u
Formula C17H16O
InChI InChI=1S/C17H16O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-10,12,17H,1-2,11H2
InChIKey KRUCVIIAIHBOCH-UHFFFAOYSA-N
Molecular Weight 236.314 g/mol
SMILES C1(C2=CC=C(C=C2)CCC=2C=CC(C1)=CC2)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947902